Molecular dynamics of contact behavior of self-assembled monolayers on gold using nanoindentation

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Title:	Molecular dynamics of contact behavior of self-assembled monolayers on gold using nanoindentation
Authors:	Te-Hua Fang Cheng-I Weng(張文進) Yu-Cheng Fan Win-Jin Chang
Contributor:	圖書資訊館
Keywords:	Self-assembled monolayer Contact pressure Molecular dynamics simulation
Date:	2009
Issue Date:	2010-08-24 11:10:50 (UTC+8)
Abstract:	Molecular dynamics simulation is used to study nanoindentation of the self-assembled monolayers (SAMs) on an Au surface. The interaction of SAM atoms is described by a general universal force field (UFF), the tight-binding second-moment approximation (TB-SMA) is used for Au substrate, and the Lennard-Jones potential function is employed to describe interaction among the indenter, the SAMs, and the Au substrate atoms. The model consists of a planar Au substrate with n-hexadecanethiol SAM chemisorbed to the substrate. The simulation results show that the contact pressure increases as the SAMs temperature increases. In addition, the contact pressure also increases as the depth and velocity of indentation increase.
Appears in Collections:	[機械工程系所] 期刊論文

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